6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C20H18ClN3O — CID 109156061

IUPAC6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-2-4-15(5-3-14)12-23-20(25)16-6-11-19(22-13-16)24-18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyMAOJOUFXZIUHMT-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.72
Rot. Bonds5

About 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156061) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109156061
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-2-4-15(5-3-14)12-23-20(25)16-6-11-19(22-13-16)24-18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyMAOJOUFXZIUHMT-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156091
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156064
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109157003
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 52905736
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 109156061) is 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is MAOJOUFXZIUHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-2-4-15(5-3-14)12-23-20(25)16-6-11-19(22-13-16)24-18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).